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BDBM50454759 FLESINOXAN::Flesinoxan

SMILES: [H][C@]1(CO)COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1

InChI Key: InChIKey=NYSDRDDQELAVKP-SFHVURJKSA-N

Data: 3 KI  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50454759   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50454759
PNG
(FLESINOXAN | Flesinoxan)
Show SMILES OC[C@H]1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50454759
PNG
(FLESINOXAN | Flesinoxan)
Show SMILES OC[C@H]1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50454759
PNG
(FLESINOXAN | Flesinoxan)
Show SMILES OC[C@H]1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
140n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50454759
PNG
(FLESINOXAN | Flesinoxan)
Show SMILES OC[C@H]1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1
Reactome pathway
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 6.60n/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Compound was tested for its potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair